(1S)-1-(1-benzylindazol-6-yl)ethane-1,2-diol

C16H16N2O2 — CID 58486137

IUPAC(1S)-1-(1-benzylindazol-6-yl)ethane-1,2-diol
SMILESOC[C@@H](O)c1ccc2cnn(Cc3ccccc3)c2c1
InChIInChI=1S/C16H16N2O2/c19-11-16(20)13-6-7-14-9-17-18(15(14)8-13)10-12-4-2-1-3-5-12/h1-9,16,19-20H,10-11H2/t16-/m1/s1
InChIKeyLHGBMYWQZPPPHV-MRXNPFEDSA-N
MW268.32 g/mol
LogP2.11
Rot. Bonds4

About (1S)-1-(1-benzylindazol-6-yl)ethane-1,2-diol

(1S)-1-(1-benzylindazol-6-yl)ethane-1,2-diol (PubChem CID 58486137) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (1S)-1-(1-benzylindazol-6-yl)ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-(1-benzylindazol-6-yl)ethane-1,2-diol
PubChem CID58486137
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(1S)-1-(1-benzylindazol-6-yl)ethane-1,2-diol
SMILESOC[C@@H](O)c1ccc2cnn(Cc3ccccc3)c2c1
InChIInChI=1S/C16H16N2O2/c19-11-16(20)13-6-7-14-9-17-18(15(14)8-13)10-12-4-2-1-3-5-12/h1-9,16,19-20H,10-11H2/t16-/m1/s1
InChIKeyLHGBMYWQZPPPHV-MRXNPFEDSA-N
XLogP2.11
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-benzylindazol-6-yl)ethane-1,2-diol?
The IUPAC name of (1S)-1-(1-benzylindazol-6-yl)ethane-1,2-diol (CID 58486137) is (1S)-1-(1-benzylindazol-6-yl)ethane-1,2-diol.
What is the SMILES notation for (1S)-1-(1-benzylindazol-6-yl)ethane-1,2-diol?
The canonical SMILES for (1S)-1-(1-benzylindazol-6-yl)ethane-1,2-diol is OC[C@@H](O)c1ccc2cnn(Cc3ccccc3)c2c1.
What is the InChIKey of (1S)-1-(1-benzylindazol-6-yl)ethane-1,2-diol?
The InChIKey is LHGBMYWQZPPPHV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-11-16(20)13-6-7-14-9-17-18(15(14)8-13)10-12-4-2-1-3-5-12/h1-9,16,19-20H,10-11H2/t16-/m1/s1.
What are the key properties of (1S)-1-(1-benzylindazol-6-yl)ethane-1,2-diol?
(1S)-1-(1-benzylindazol-6-yl)ethane-1,2-diol has a molecular weight of 268.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-benzylindazol-6-yl)ethane-1,2-diol is sourced from PubChem (CID 58486137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).